methyl 2-butyl-5-chloranyl-3-[[4-(2-iodanylphenyl)phenyl]methyl]imidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-5-chloranyl-3-[[4-(2-iodanylphenyl)phenyl]methyl]imidazole-4-carboxylate Openeye Name: methyl 2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-butyl-5-chloro-3-[4-(2-iodophenyl)benzyl]imidazole-4-carboxylic acid methyl ester Formula: C22H22ClIN2O2 MolecularWeight: 508.77975

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3I)C(=O)OC)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3I)C(=O)OC)Cl

InChI

InChI=1S/C22H22ClIN2O2/c1-3-4-9-19-25-21(23)20(22(27)28-2)26(19)14-15-10-12-16(13-11-15)17-7-5-6-8-18(17)24/h5-8,10-13H,3-4,9,14H2,1-2H3